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Merck
CN

48545

Isophorone

analytical standard

Synonym(s):

3,5,5-Trimethyl-2-cyclohexen-1-one

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About This Item

Empirical Formula (Hill Notation):
C9H14O
CAS Number:
Molecular Weight:
138.21
EC Number:
201-126-0
UNSPSC Code:
12181503
PubChem Substance ID:
Beilstein/REAXYS Number:
1280721
MDL number:
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grade

analytical standard

vapor density

4.77 (vs air)

vapor pressure

0.2 mmHg ( 20 °C)

autoignition temp.

864 °F

expl. lim.

3.8 %

packaging

ampule of 5000 mg

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.476 (lit.)

bp

213-214 °C (lit.)

mp

−8 °C (lit.)

density

0.923 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

storage temp.

2-8°C

SMILES string

CC1=CC(=O)CC(C)(C)C1

InChI

1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3

InChI key

HJOVHMDZYOCNQW-UHFFFAOYSA-N

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.


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pictograms

Health hazardExclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

204.8 °F - closed cup

flash_point_c

96.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter



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Certificates of Analysis (COA)

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